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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50224097'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50224097
PNG
(CHEMBL418067)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C3CCCCC3)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C49H73Cl2N3O13/c1-12-37-49(9)41(53(45(58)67-49)21-20-32-18-19-34(50)35(51)23-32)29(5)38(55)26(2)24-48(8,61-11)42(66-44-39(56)36(22-28(4)63-44)52(10)33-16-14-13-15-17-33)30(6)40(31(7)43(57)64-37)65-47(60)54-27(3)25-62-46(54)59/h18-19,23,26-31,33,36-37,39-42,44,56H,12-17,20-22,24-25H2,1-11H3/t26-,27+,28-,29+,30+,31-,36+,37-,39-,40+,41-,42-,44?,48+,49-/m1/s1
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Similars
PubMed
 7.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells

Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair